-
1
-
-
9944226546
-
Molecular Descriptors
-
P. Bultinck, H. De Winter, W. Langenaeker, J. P. Tollenaere Eds, Marcel Dekker, New York, Chapter 20, pp
-
G. M. Downs, Molecular Descriptors, in: Computational Medicinal Chemistry for Drug Discovery, P. Bultinck, H. De Winter, W. Langenaeker, J. P. Tollenaere (Eds.), Marcel Dekker, New York 2004, Chapter 20, pp. 515-537.
-
(2004)
Computational Medicinal Chemistry for Drug Discovery
, pp. 515-537
-
-
Downs, G.M.1
-
2
-
-
0031024171
-
-
C. A. Lipinski, F. Lombardo, B. W. Dominy, P. J. Feenay, Adv. Drug. Deliv. Rev. 1997, 23, 3-25.
-
(1997)
Adv. Drug. Deliv. Rev
, vol.23
, pp. 3-25
-
-
Lipinski, C.A.1
Lombardo, F.2
Dominy, B.W.3
Feenay, P.J.4
-
4
-
-
0040942563
-
-
a) R. G. Parr, L. V. Szentpaly, S. Liu, J. Am. Chem. Soc. 1999, 121, 1922-1924;
-
(1999)
J. Am. Chem. Soc
, vol.121
, pp. 1922-1924
-
-
Parr, R.G.1
Szentpaly, L.V.2
Liu, S.3
-
5
-
-
85192675604
-
-
P. K. Chattaraj, U. Sarkar, D. R. Roy, Chem. Rev. 2006, 106, 2065-2091. P. K. Chattaraj, D. R. Roy, Chem. Rev. 2007, 107, PR46-PR74.
-
b) P. K. Chattaraj, U. Sarkar, D. R. Roy, Chem. Rev. 2006, 106, 2065-2091. P. K. Chattaraj, D. R. Roy, Chem. Rev. 2007, 107, PR46-PR74.
-
-
-
-
6
-
-
12344308328
-
-
M. Randic, M. Pompe, D. Mills, S. C. Basak, Molecules 2004, 9, 1177-1193.
-
(2004)
Molecules
, vol.9
, pp. 1177-1193
-
-
Randic, M.1
Pompe, M.2
Mills, D.3
Basak, S.C.4
-
7
-
-
0035877382
-
-
G. Krenkel, E. Castro, A. A. Toropov, J. Mol. Struct. (THE-OCHEM) 2001, 542, 107-113.
-
(2001)
J. Mol. Struct. (THE-OCHEM)
, vol.542
, pp. 107-113
-
-
Krenkel, G.1
Castro, E.2
Toropov, A.A.3
-
8
-
-
54949095727
-
-
a) D. Janežic, B. Lucic, S. Nikolic, A. Milicevic, N. Trinajstic, Int. Electron. J. Mol. Des 2006, 5, 192-200;
-
(2006)
Int. Electron. J. Mol. Des
, vol.5
, pp. 192-200
-
-
Janežic, D.1
Lucic, B.2
Nikolic, S.3
Milicevic, A.4
Trinajstic, N.5
-
9
-
-
2642580646
-
-
b) Q. Li, X Chen, Z. Hu, Chemom. Intell. Lab. Syst. 2004, 72, 93-100.
-
(2004)
Chemom. Intell. Lab. Syst
, vol.72
, pp. 93-100
-
-
Li, Q.1
Chen, X.2
Hu, Z.3
-
11
-
-
0038661201
-
-
P. Geerlings, F. De Proft, W. Langenaeker, Chem. Rev. 2003, 103, 1793-1874.
-
(2003)
Chem. Rev
, vol.103
, pp. 1793-1874
-
-
Geerlings, P.1
De Proft, F.2
Langenaeker, W.3
-
13
-
-
36749117171
-
-
R. G. Parr, D. A. Donnelly, M. Levy, W. E. Palke, J. Chem. Phys. 1978, 68, 3801-3807.
-
(1978)
J. Chem. Phys
, vol.68
, pp. 3801-3807
-
-
Parr, R.G.1
Donnelly, D.A.2
Levy, M.3
Palke, W.E.4
-
14
-
-
0004123598
-
Structure and Bonding
-
K. D. Sen, C. K. Jorgenson Eds, Springer, Berlin
-
K. D. Sen, C. K. Jorgenson (Eds.), Structure and Bonding, Vol. 66, Electronegativity, Springer, Berlin 1987.
-
(1987)
Electronegativity
, vol.66
-
-
-
17
-
-
34250685369
-
-
J. Padmanabhan, R. Parthasarathi, V. Subramanian, P. K. Chattaraj, QSAR Comb. Sci. 2007, 26, 227-237.
-
(2007)
QSAR Comb. Sci
, vol.26
, pp. 227-237
-
-
Padmanabhan, J.1
Parthasarathi, R.2
Subramanian, V.3
Chattaraj, P.K.4
-
18
-
-
0035298684
-
-
S. Puri, J. S. Chickos, W. J. Welsh, Anal. Chem. 2001, 73, 1480-1484.
-
(2001)
Anal. Chem
, vol.73
, pp. 1480-1484
-
-
Puri, S.1
Chickos, J.S.2
Welsh, W.J.3
-
19
-
-
31144476276
-
-
K. Nakajoh, E. Shibata, T. Todoroki, A. Ohara, K. Nishizawa, T. Nakamura, Environ. Toxicol. Chem. 2006, 25, 327-336.
-
(2006)
Environ. Toxicol. Chem
, vol.25
, pp. 327-336
-
-
Nakajoh, K.1
Shibata, E.2
Todoroki, T.3
Ohara, A.4
Nishizawa, K.5
Nakamura, T.6
-
20
-
-
0036522799
-
-
S. Puri, J. S. Chickos, W. J. Welsh, J. Chem. Inf. Comput. Sci. 2002, 42, 299-304.
-
(2002)
J. Chem. Inf. Comput. Sci
, vol.42
, pp. 299-304
-
-
Puri, S.1
Chickos, J.S.2
Welsh, W.J.3
-
21
-
-
30344475228
-
-
and references therein
-
J. Padmanabhan, R. Parthasarathi, V. Subramanian, P. K. Chattaraj, Bioorg. Med. Chem. 2006, 14, 1021-1028 and references therein.
-
(2006)
Bioorg. Med. Chem
, vol.14
, pp. 1021-1028
-
-
Padmanabhan, J.1
Parthasarathi, R.2
Subramanian, V.3
Chattaraj, P.K.4
-
22
-
-
33748460632
-
-
and references therein
-
J. Padmanabhan, R. Parthasarathi, V. Subramanian, P. K. Chattaraj, J. Mol. Struct. (THEOCHEM) 2006, 774, 49-57 and references therein.
-
(2006)
J. Mol. Struct. (THEOCHEM)
, vol.774
, pp. 49-57
-
-
Padmanabhan, J.1
Parthasarathi, R.2
Subramanian, V.3
Chattaraj, P.K.4
-
26
-
-
33947256411
-
-
b) M. Shamsipur, R. Ghavan-ii, B. Hernmatee-nejad, H. Sharghi, Int. Electron. J. Mol. Des. 2005, 4, 882-910;
-
(2005)
Int. Electron. J. Mol. Des
, vol.4
, pp. 882-910
-
-
Shamsipur, M.1
Ghavan-ii, R.2
Hernmatee-nejad, B.3
Sharghi, H.4
-
27
-
-
0034751673
-
-
c) D. J. Livingstone, M. G. Ford, J. J. Huuskonen, D. W. Salt, J. Comput. Ail Mol. Des. 2001, 15, 741-752.
-
(2001)
J. Comput. Ail Mol. Des
, vol.15
, pp. 741-752
-
-
Livingstone, D.J.1
Ford, M.G.2
Huuskonen, J.J.3
Salt, D.W.4
-
28
-
-
0034765922
-
-
O. Pfeifer, U. Lohmann, K. Ballschmiter, Fresenius J. Anal. Chem. 2001, 371, 598-606.
-
(2001)
Fresenius J. Anal. Chem
, vol.371
, pp. 598-606
-
-
Pfeifer, O.1
Lohmann, U.2
Ballschmiter, K.3
-
29
-
-
4143079520
-
-
R. Parthasarthi, J. Padmanabhan, M. Elango, V Subramanian, P. K. Chattaraj, Chem. Phys. Lett. 2004, 394, 225-230.
-
(2004)
Chem. Phys. Lett
, vol.394
, pp. 225-230
-
-
Parthasarthi, R.1
Padmanabhan, J.2
Elango, M.3
Subramanian, V.4
Chattaraj, P.K.5
-
30
-
-
0037742281
-
-
P. K. Chattaraj, B. Maiti, U. Sarkar, J. Phys. Chem. A 2003, 107, 4973-4975.
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 4973-4975
-
-
Chattaraj, P.K.1
Maiti, B.2
Sarkar, U.3
-
31
-
-
33745757312
-
-
R. Parthasarathi, J. Padmanabhan, M. Elango, K. Chitra, V. Subramanian, P. K. Chattaraj, J. Phys. Chem. A 2006, 110, 6540-6544.
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 6540-6544
-
-
Parthasarathi, R.1
Padmanabhan, J.2
Elango, M.3
Chitra, K.4
Subramanian, V.5
Chattaraj, P.K.6
-
32
-
-
0028219831
-
-
L. A. Eriksson, R. Berglind, M. Sjostrom, Chemom. Intell. Lab. Syst. 1994, 23, 235-245.
-
(1994)
Chemom. Intell. Lab. Syst
, vol.23
, pp. 235-245
-
-
Eriksson, L.A.1
Berglind, R.2
Sjostrom, M.3
-
33
-
-
85192683851
-
-
a Prediction for Organic Acids and Bases, Chapman and Hall, New York 1981.
-
a Prediction for Organic Acids and Bases, Chapman and Hall, New York 1981.
-
-
-
-
34
-
-
33845768501
-
-
J. Zhang, T. Kleinoder, J. Gasteiger, J. Chem. Inf. Model. 2006, 46, 2256-2266.
-
(2006)
J. Chem. Inf. Model
, vol.46
, pp. 2256-2266
-
-
Zhang, J.1
Kleinoder, T.2
Gasteiger, J.3
-
36
-
-
34247255912
-
-
b) S. Jelfs, P. Ertl, P. Selzerv, J. Chem. Inf. Model. 2007, 47, 450-459.
-
(2007)
J. Chem. Inf. Model
, vol.47
, pp. 450-459
-
-
Jelfs, S.1
Ertl, P.2
Selzerv, P.3
|